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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H26N2O3
Molecular Weight 414.4962
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NALTRINDOLE

SMILES

[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(CC6CC6)[C@H](C4)[C@]5(O)CC7=C2NC8=C7C=CC=C8

InChI

InChIKey=WIYUZYBFCWCCQJ-IFKAHUTRSA-N
InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H26N2O3
Molecular Weight 414.4962
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:53:12 UTC 2023
Edited
by admin
on Sat Dec 16 09:53:12 UTC 2023
Record UNII
G167Z38QA4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NALTRINDOLE
Common Name English
4,8-METHANOBENZOFURO(2,3-A)PYRIDO(4,3-B)CARBAZOLE-1,8A(9H)-DIOL, 7-(CYCLOPROPYLMETHYL)-5,6,7,8,14,14B-HEXAHYDRO-, (4BS,8R,8AS,14BR)-
Systematic Name English
NTI
Common Name English
Code System Code Type Description
CAS
111555-53-4
Created by admin on Sat Dec 16 09:53:12 UTC 2023 , Edited by admin on Sat Dec 16 09:53:12 UTC 2023
PRIMARY
WIKIPEDIA
Naltrindole
Created by admin on Sat Dec 16 09:53:12 UTC 2023 , Edited by admin on Sat Dec 16 09:53:12 UTC 2023
PRIMARY
FDA UNII
G167Z38QA4
Created by admin on Sat Dec 16 09:53:12 UTC 2023 , Edited by admin on Sat Dec 16 09:53:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID60912216
Created by admin on Sat Dec 16 09:53:12 UTC 2023 , Edited by admin on Sat Dec 16 09:53:12 UTC 2023
PRIMARY
PUBCHEM
5497186
Created by admin on Sat Dec 16 09:53:12 UTC 2023 , Edited by admin on Sat Dec 16 09:53:12 UTC 2023
PRIMARY
Related Record Type Details
DERIVATIVE -> PARENT
TARGET -> INHIBITOR